Information card for entry 7043052

Structure parameters

• Formula: C64 H58 Cl4 N4 O P2 Rh2
• Calculated formula: C64 H58 Cl4 N4 O P2 Rh2
• Title of publication: Stereospecific control of the metal-centred chirality of rhodium(III) and iridium(III) complexes bearing tetradentate CNN’P ligands
• Authors of publication: Carmona, Daniel; Carmona, María; Rodríguez, Ricardo; Méndez, Isabel; Passarelli, Vincenzo; Lahoz, Fernando J.; García-Orduña, Pilar
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 21.253 ± 0.0014 Å
• b: 12.8028 ± 0.0008 Å
• c: 10.0452 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2733.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No